B6IPT8 -OEChem-04012112562D 40 42 0 0 0 0 0 0 0999 V2000 3.7601 -4.5352 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -0.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -0.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.4648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 2.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 4.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 3.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 3.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 3.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 5.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 4.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 4.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 5.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 2.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 2.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$